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Comparison of polarizabilities for B2PLYP/6-31G

Units are Å3
Change units.
species name calculated experimental difference
HCCCl Chloroacetylene 3.339    
CSe2 Carbon diselenide 7.450 11.269 -3.820
(CH3)3CC(CH3)3 tetramethylbutane 12.257 15.610 -3.352
C9H20 Nonane 14.315 17.370 -3.055
C6H4Cl2 1,3-dichlorobenzene 11.045 13.729 -2.685
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 5.791 8.401 -2.610
AsCl3 Arsenous trichloride 8.856 11.370 -2.514
CH2ClCH2Cl Ethane, 1,2-dichloro- 5.653 8.000 -2.348
C6H12 hex-1-ene 9.303 11.650 -2.348
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.468 6.499 -2.031
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 4.472 6.499 -2.027
Cl2 Chlorine diatomic 2.615 4.610 -1.995
CH2ClCH2OH 2-Chloroethanol 4.955 6.880 -1.925
C4H2 Diacetylene 4.909 6.811 -1.901
CH3CH2SH ethanethiol 5.522 7.380 -1.858
C5H8O Cyclopentanone 7.414 9.250 -1.836
C4H10O 1-Butanol 6.887 8.570 -1.683
CH3CH(CH3)CN Propanenitrile, 2-methyl- 6.399 8.049 -1.650
CH3CH2COOH Propanoic Acid 5.332 6.960 -1.628
C4H8O2 Ethyl acetate 7.057 8.620 -1.563
H2S Hydrogen sulfide 2.087 3.631 -1.543
HCl Hydrogen chloride 1.016 2.515 -1.499
SiH4 Silane 3.367 4.777 -1.411
C2H4 Ethylene 2.853 4.188 -1.334
C2N2 Cyanogen 3.703 5.015 -1.312
CHONH2 formamide 2.844 4.080 -1.236
CHONH2 formamide 2.844 4.080 -1.236
NH3 Ammonia 1.003 2.103 -1.100
SeF6 Selenium hexafluoride 4.229 5.320 -1.091
CH3NH2 methyl amine 2.669 3.754 -1.084
NO2 Nitrogen dioxide 1.829 2.910 -1.081
CH3OH Methyl alcohol 2.238 3.210 -0.972
N2O Nitrous oxide 2.126 2.998 -0.872
H2O Water 0.661 1.501 -0.841
CH3F Methyl fluoride 1.771 2.540 -0.768
CH4 Methane 1.790 2.448 -0.658
O2 Oxygen diatomic 0.904 1.562 -0.658
CO2 Carbon dioxide 1.859 2.507 -0.649
NO Nitric oxide 1.052 1.698 -0.646
F2 Fluorine diatomic 0.597 1.160 -0.564
CO Carbon monoxide 1.398 1.953 -0.555
HF Hydrogen fluoride 0.286 0.800 -0.514
N2 Nitrogen diatomic 1.204 1.710 -0.506
C10H8 Azulene 15.843 15.520 0.323